2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide

C11H11Cl2N3O3 — CID 47140929

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H11Cl2N3O3/c12-6-2-1-5(3-7(6)13)4-8(17)16-9(10(14)18)11(15)19/h1-3,9H,4H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyDVCAXICKRWHXJY-UHFFFAOYSA-N
MW304.13 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide

2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide (PubChem CID 47140929) has the molecular formula C11H11Cl2N3O3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
PubChem CID47140929
Molecular FormulaC11H11Cl2N3O3
Molecular Weight304.13 g/mol
Exact Mass303.02
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide
SMILESNC(=O)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H11Cl2N3O3/c12-6-2-1-5(3-7(6)13)4-8(17)16-9(10(14)18)11(15)19/h1-3,9H,4H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyDVCAXICKRWHXJY-UHFFFAOYSA-N
XLogP-0.01
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-methylpentanamide
CID 78773290
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63044929
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 77039237
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
butyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoate
CID 67636937

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide (CID 47140929) is 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide is NC(=O)C(NC(=O)Cc1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide?
The InChIKey is DVCAXICKRWHXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3/c12-6-2-1-5(3-7(6)13)4-8(17)16-9(10(14)18)11(15)19/h1-3,9H,4H2,(H2,14,18)(H2,15,19)(H,16,17).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide?
2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide has a molecular weight of 304.13 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanediamide is sourced from PubChem (CID 47140929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).